LMFA01090133
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0  0  0  0  0  0  0  0999 V2000
   18.0576    5.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7717    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0576    6.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3384    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6188    5.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8991    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1795    5.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4599    6.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7403    6.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0208    6.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3012    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5815    6.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8619    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1423    6.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4227    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7031    6.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9836    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640    6.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5443    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875    6.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2450    7.5051    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA01090133

> <COMMON_NAME>
18-bromo-15E,17E-octadecadien-5,7-diynoic acid

> <SYSTEMATIC_NAME>
18-bromo-15E,17E-octadecadien-5,7-diynoic acid

> <FORMULA>
C18H23BrO2

> <MASS>
350.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Halogenated fatty acids [FA0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CKJUNWLHPMBFIC-SBLPRGNDSA-N

> <INCHI>
InChI=1S/C18H23BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h11,13,15,17H,1-3,5,7,9,12,14,16H2,(H,20,21)/b13-11+,17-15+

> <SMILES>
C(CCCC#CC#CCCCCCC/C=C/C=C/Br)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56935835

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; 

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
68563

> <CITATION>
11958814

$$$$